2-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]quinoline;dihydrochloride

C18H25Cl2N3 — CID 171284607

IUPAC2-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]quinoline;dihydrochloride
SMILESCl.Cl.c1ccc2nc([C@H](CC3CC3)N3CCNCC3)ccc2c1
InChIInChI=1S/C18H23N3.2ClH/c1-2-4-16-15(3-1)7-8-17(20-16)18(13-14-5-6-14)21-11-9-19-10-12-21;;/h1-4,7-8,14,18-19H,5-6,9-13H2;2*1H/t18-;;/m0../s1
InChIKeyKXIIAAGDMUEVTH-NTEVMMBTSA-N
MW354.32 g/mol
LogP3.82
Rot. Bonds4

About 2-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]quinoline;dihydrochloride

2-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]quinoline;dihydrochloride (PubChem CID 171284607) has the molecular formula C18H25Cl2N3 and a molecular weight of 354.32 g/mol. Its IUPAC name is 2-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]quinoline;dihydrochloride.

Molecular Properties

Compound Name2-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]quinoline;dihydrochloride
PubChem CID171284607
Molecular FormulaC18H25Cl2N3
Molecular Weight354.32 g/mol
Exact Mass353.14
IUPAC Name2-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]quinoline;dihydrochloride
SMILESCl.Cl.c1ccc2nc([C@H](CC3CC3)N3CCNCC3)ccc2c1
InChIInChI=1S/C18H23N3.2ClH/c1-2-4-16-15(3-1)7-8-17(20-16)18(13-14-5-6-14)21-11-9-19-10-12-21;;/h1-4,7-8,14,18-19H,5-6,9-13H2;2*1H/t18-;;/m0../s1
InChIKeyKXIIAAGDMUEVTH-NTEVMMBTSA-N
XLogP3.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-1-piperazin-1-ylbutyl]quinoline;dihydrochloride
CID 171284605
2-[(S)-cyclopropyl(piperazin-1-yl)methyl]quinoline;dihydrochloride
CID 171284591
2-[(R)-cyclopentyl(piperazin-1-yl)methyl]quinoline;dihydrochloride
CID 171297216
2-[(S)-cyclohexyl(piperazin-1-yl)methyl]quinoline;dihydrochloride
CID 171284597
1-[(1S)-1-(6-bromo-2-pyridinyl)-2-cyclopropylethyl]piperazine
CID 171276428
1-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride
CID 171294417
1-[(1S)-2-cyclopropyl-1-thiophen-2-ylethyl]piperazine;dihydrochloride
CID 171281527
2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]quinoline;dihydrochloride
CID 171284611
1-[(1R)-2-cyclopropyl-1-thiophen-2-ylethyl]piperazine
CID 171294145
1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride
CID 171292166
4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171285197
1-[(1R)-2-cyclopropyl-1-(4-methylnaphthalen-1-yl)ethyl]piperazine;dihydrochloride
CID 171292446

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]quinoline;dihydrochloride?
The IUPAC name of 2-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]quinoline;dihydrochloride (CID 171284607) is 2-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]quinoline;dihydrochloride.
What is the SMILES notation for 2-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]quinoline;dihydrochloride?
The canonical SMILES for 2-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]quinoline;dihydrochloride is Cl.Cl.c1ccc2nc([C@H](CC3CC3)N3CCNCC3)ccc2c1.
What is the InChIKey of 2-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]quinoline;dihydrochloride?
The InChIKey is KXIIAAGDMUEVTH-NTEVMMBTSA-N. The full InChI is InChI=1S/C18H23N3.2ClH/c1-2-4-16-15(3-1)7-8-17(20-16)18(13-14-5-6-14)21-11-9-19-10-12-21;;/h1-4,7-8,14,18-19H,5-6,9-13H2;2*1H/t18-;;/m0../s1.
What are the key properties of 2-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]quinoline;dihydrochloride?
2-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]quinoline;dihydrochloride has a molecular weight of 354.32 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]quinoline;dihydrochloride is sourced from PubChem (CID 171284607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).